3-N,3-N-dimethyl-2-N-[3-[5-(2-methylpropoxy)-2-pyridinyl]-1,2,4-thiadiazol-5-yl]pyridine-2,3-diamine

C18H22N6OS — CID 155230307

IUPAC3-N,3-N-dimethyl-2-N-[3-[5-(2-methylpropoxy)-2-pyridinyl]-1,2,4-thiadiazol-5-yl]pyridine-2,3-diamine
SMILESCC(C)COc1ccc(-c2nsc(Nc3ncccc3N(C)C)n2)nc1
InChIInChI=1S/C18H22N6OS/c1-12(2)11-25-13-7-8-14(20-10-13)16-21-18(26-23-16)22-17-15(24(3)4)6-5-9-19-17/h5-10,12H,11H2,1-4H3,(H,19,21,22,23)
InChIKeyVDRNLEIOQLBVKW-UHFFFAOYSA-N
MW370.48 g/mol
LogP3.84
Rot. Bonds7

About 3-N,3-N-dimethyl-2-N-[3-[5-(2-methylpropoxy)-2-pyridinyl]-1,2,4-thiadiazol-5-yl]pyridine-2,3-diamine

3-N,3-N-dimethyl-2-N-[3-[5-(2-methylpropoxy)-2-pyridinyl]-1,2,4-thiadiazol-5-yl]pyridine-2,3-diamine (PubChem CID 155230307) has the molecular formula C18H22N6OS and a molecular weight of 370.48 g/mol. Its IUPAC name is 3-N,3-N-dimethyl-2-N-[3-[5-(2-methylpropoxy)-2-pyridinyl]-1,2,4-thiadiazol-5-yl]pyridine-2,3-diamine.

Molecular Properties

Compound Name3-N,3-N-dimethyl-2-N-[3-[5-(2-methylpropoxy)-2-pyridinyl]-1,2,4-thiadiazol-5-yl]pyridine-2,3-diamine
PubChem CID155230307
Molecular FormulaC18H22N6OS
Molecular Weight370.48 g/mol
Exact Mass370.16
IUPAC Name3-N,3-N-dimethyl-2-N-[3-[5-(2-methylpropoxy)-2-pyridinyl]-1,2,4-thiadiazol-5-yl]pyridine-2,3-diamine
SMILESCC(C)COc1ccc(-c2nsc(Nc3ncccc3N(C)C)n2)nc1
InChIInChI=1S/C18H22N6OS/c1-12(2)11-25-13-7-8-14(20-10-13)16-21-18(26-23-16)22-17-15(24(3)4)6-5-9-19-17/h5-10,12H,11H2,1-4H3,(H,19,21,22,23)
InChIKeyVDRNLEIOQLBVKW-UHFFFAOYSA-N
XLogP3.84
TPSA76.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-N,3-N-dimethyl-2-N-[3-[5-(2-methylpropoxy)-2-pyridinyl]-1,2,4-thiadiazol-5-yl]pyridine-2,3-diamine?
The IUPAC name of 3-N,3-N-dimethyl-2-N-[3-[5-(2-methylpropoxy)-2-pyridinyl]-1,2,4-thiadiazol-5-yl]pyridine-2,3-diamine (CID 155230307) is 3-N,3-N-dimethyl-2-N-[3-[5-(2-methylpropoxy)-2-pyridinyl]-1,2,4-thiadiazol-5-yl]pyridine-2,3-diamine.
What is the SMILES notation for 3-N,3-N-dimethyl-2-N-[3-[5-(2-methylpropoxy)-2-pyridinyl]-1,2,4-thiadiazol-5-yl]pyridine-2,3-diamine?
The canonical SMILES for 3-N,3-N-dimethyl-2-N-[3-[5-(2-methylpropoxy)-2-pyridinyl]-1,2,4-thiadiazol-5-yl]pyridine-2,3-diamine is CC(C)COc1ccc(-c2nsc(Nc3ncccc3N(C)C)n2)nc1.
What is the InChIKey of 3-N,3-N-dimethyl-2-N-[3-[5-(2-methylpropoxy)-2-pyridinyl]-1,2,4-thiadiazol-5-yl]pyridine-2,3-diamine?
The InChIKey is VDRNLEIOQLBVKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6OS/c1-12(2)11-25-13-7-8-14(20-10-13)16-21-18(26-23-16)22-17-15(24(3)4)6-5-9-19-17/h5-10,12H,11H2,1-4H3,(H,19,21,22,23).
What are the key properties of 3-N,3-N-dimethyl-2-N-[3-[5-(2-methylpropoxy)-2-pyridinyl]-1,2,4-thiadiazol-5-yl]pyridine-2,3-diamine?
3-N,3-N-dimethyl-2-N-[3-[5-(2-methylpropoxy)-2-pyridinyl]-1,2,4-thiadiazol-5-yl]pyridine-2,3-diamine has a molecular weight of 370.48 g/mol, XLogP of 3.84, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N-dimethyl-2-N-[3-[5-(2-methylpropoxy)-2-pyridinyl]-1,2,4-thiadiazol-5-yl]pyridine-2,3-diamine is sourced from PubChem (CID 155230307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).